Chem
J-GLOBAL ID：200907038967077892   Nikkaji number：J254.851H

Mycinamicin VI

ミシナミシンVI
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H57NO11
Molecular formula furigana： C35-H57-N-O11
Molecular weight： 667.837
InChI： InChI=1S/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/b12-10?,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27?,29+,30+,31+,32+,33?,34+,35-/m0/s1
InChI key： ORPUAOXOPLNKNG-HYHACCADSA-N
SMILES： CCC1OC(=O)/C=C/[C@H](C)C(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 12,13-ジデヒドロ-2′′-O,3′′-O-ジデメチル-12,12-O-セコ-13-デオキシミシナミシンI
  • (3E,5S,6S,7S,9R,11E,15R,16R)-6-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-16-エチル-5,7,9-トリメチル-15-({[(2R,3R,4R,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)-1-オキサシクロヘキサデカ-3,11,13-トリエン-2,10-ジオン
  • (3E,5S,6S,7S,9R,11E,15R,16R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-5,7,9-trimethyl-15-({[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
Other name (4)：
  • ミシナミシンVI
  • Mycinamicin VI
  • ミシナマイシンVI
  • 12,13-Didehydro-2′′-O,3′′-O-didemethyl-12,12-O-seco-13-deoxymycinamicin I
CAS registry number： 85687-36-1
KEGG COMPOUND： C15682
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